Afwillite
	Megaw H D
	Acta Crystallographica 5 (1952) 477-491
	The structure of afwillite, Ca3(SiO3OH)2*2H2O
	Locality: Scawt Hill, Northern Ireland
	16.27 5.632 13.23 90 134.80 90 Cc
	atom x y z Biso
	Ca1 .1968 .0348 .2920 1.4
	Ca2 .8012 .0485 .2093 1.4
	Ca3 .5037 .0362 .0288 1.4
	Si1 .1175 .0442 .0007 1.4
	Si2 .8692 .9753 .9982 1.4
	O1 .9918 .9152 .3410 1.4
	OH2 .9992 .9045 .1538 1.4
	O3 .7837 .9695 .0207 1.4
	OH4 .2158 .0545 .9888 1.4
	O5 .3312 .7352 .3905 1.4
	O6 .3630 .2820 .4333 1.4
	O7 .1473 .2667 .0983 1.4
	O8 .1318 .8125 .0778 1.4
	Wat9 .5630 .9795 .2583 1.4
	Wat10 .4120 .9693 .2647 1.4
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	Afwillite
	Malik K M A, Jeffery J W
	Acta Crystallographica B32 (1976) 475-480
	A re-investigation of the structure of afwillite
	16.278 5.6321 13.236 90 134.898 90 Cc
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cal .19680 .03703 .29200 .0061 .0066 .0063 .0004 .0042 .0006
	Ca2 .80171 .04990 .21213 .0067 .0110 .0078 -.0001 .0051 -.0025
	Ca3 .50392 .02829 .03131 .0060 .0071 .0128 .0006 .0057 .0017
	Si1 .11768 .05129 .00184 .0063 .0063 .0057 -.0006 .0042 -.0001
	Si2 .86923 .98073 .00188 .0060 .0054 .0060 -.0001 .0043 .0001
	O1 .99020 .90943 .34297 .0072 .0180 .0073 .0010 .0039 -.0008
	O2 .00197 .90887 .15827 .0067 .0171 .0069 .0014 .0041 .0019
	O3 .78272 .97821 .02343 .0089 .0123 .0100 -.0006 .0077 -.0002
	O4 .21228 .05467 .98665 .0113 .0095 .0135 -.0021 .0103 -.0017
	O5 .33680 .73414 .39691 .0093 .0072 .0075 .0010 .0108 .0036
	O6 .36651 .26997 .44054 .0100 .0091 .0139 -.0009 .0080 -.0030
	O7 .15230 .27093 .10640 .0102 .0073 .0099 -.0001 .0077 -.0016
	O8 .13667 .80824 .08125 .0108 .0076 .0110 -.0002 .0084 .0017
	O9 .59284 .89321 .26963 .0124 .0159 .0128 .0006 .0084 -.0022
	O10 .41837 .96957 .26654 .0194 .0186 .0226 .0032 .0139 .0073
	H21 .496 .415 .243 .102
	H43 .228 .240 .000 .101
	H93 .150 .450 .375 .140
	H910 .030 .360 .270 .140
	H101 .430 .105 .312 .197
	H104 .346 .975 .164 .197
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Total number of retrieved datasets: 2
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